8-chloranyl-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-1H-quinolin-4-one

Systemtic Name: 8-chloranyl-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-1H-quinolin-4-one Openeye Name: 8-chloro-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-1H-quinolin-4-one CAS Name: 8-chloro-3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-methyl-1H-quinolin-4-one IUPAC Name: 8-chloro-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-1H-quinolin-4-one Traditional Name: 8-chloro-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-4-quinolone Formula: C18H24ClN2O+ MolecularWeight: 319.84896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=CC=C3Cl)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=CC=C3Cl)C

InChI

InChI=1S/C18H23ClN2O/c1-3-13-7-4-5-10-21(13)11-15-12(2)20-17-14(18(15)22)8-6-9-16(17)19/h6,8-9,13H,3-5,7,10-11H2,1-2H3,(H,20,22)/p+1/t13-/m0/s1